Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: cystic fibrosis (CF) [ICD11:
CA25 
]
NCBI PubMed ID: 31786294Publication DOI: 10.1016/j.ijbiomac.2019.11.037Journal NLM ID: 7909578Publisher: Butterworth-Heinemann
Correspondence: jwb7
cornell.edu
Institutions: Department of Life Sciences, University of Trieste, Via Licio Giorgieri 1, 34127 Trieste, Italy, Department of Food Science, Cornell University, Ithaca, NY 14853, USA, Department of Chemistry and Biochemistry, Bradley University, 1501 W. Bradley Ave., Peoria, IL, USA
Ramachandran conformational energy maps have been prepared for all of the glycosidic linkages found in the C1576 exopolysaccharide that constitutes the biofilms of the bacterial species Burkholderia multivorans, a member of the Burkholderia cepacian complex that was isolated from a cystic fibrosis patient. This polysaccharide is a rhamnomannan with a tetrasaccharide repeat unit containing two mannose residues and two rhamnose residues, -[3-α-D-Man-(1→2)-α-D-Man-(1→2)-α-D-Rha-(1→3)-α-D-Rha-(1→]n-, where approximately 50% of the rhamnoses are randomly methylated on their O3 hydroxyl groups, further increasing the overall hydrophobicity of the chains. Because of the methylation, the tetrasaccharide repeat unit actually contains six possible linkages. The conformational energy maps are fully adiabatic relaxed maps in which the energy for each (ϕ,ψ) grid point on the map represents the lowest possible energy for the molecule in that conformation, considering all the combinations of the other degrees of freedom, such as hydroxyl orientations. Molecular dynamics simulations were used to verify that these maps indeed describe the conformational dynamics of these linkages. All six linkages were found to be quite restricted in possible ϕ angles, but to exhibit several possible low-energy ψ angles, suggesting that these chains could be quite flexible.
biofilms, Burkholderia multivorans, Polysaccharide Ramachandran conformational energy maps
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.501
Trivial name: rhamnomannan exopolysaccharide (EpolC1576), a rhamno-mannan Epol
Compound class: EPS
Contained glycoepitopes: IEDB_130701,IEDB_136104,IEDB_1394181,IEDB_143632,IEDB_144983,IEDB_152206,IEDB_983930,SB_136,SB_196,SB_44,SB_67,SB_72
Methods: MD simulations, CHARMM36, conformational energy mapping
NCBI Taxonomy refs (TaxIDs): 87883Reference(s) to other database(s): GTC:G13263FN
Show glycosyltransferases
There is only one chemically distinct structure:
Found 
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